4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine

C10H17F3N4S — CID 62184568

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)CC(F)(F)F
InChIInChI=1S/C10H17F3N4S/c1-3-5-14-9-8(15-16-18-9)6-17(4-2)7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyDRTYSPZLOOCBLG-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.74
Rot. Bonds7

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62184568) has the molecular formula C10H17F3N4S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62184568
Molecular FormulaC10H17F3N4S
Molecular Weight282.33 g/mol
Exact Mass282.11
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC)CC(F)(F)F
InChIInChI=1S/C10H17F3N4S/c1-3-5-14-9-8(15-16-18-9)6-17(4-2)7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyDRTYSPZLOOCBLG-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Piperazin-1-yl-4-(trifluoromethyl)thiadiazole
CID 141371462
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62181921
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182446
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182803
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182960
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62184568) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is DRTYSPZLOOCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-3-5-14-9-8(15-16-18-9)6-17(4-2)7-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 282.33 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62184568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).